3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C14H12Cl2N2O3 — CID 796318

IUPAC3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-9-3-1-2-4-10(9)18-13(19)11(16)12(14(18)20)17-5-7-21-8-6-17/h1-4H,5-8H2
InChIKeyIZBZZJWLLSFVOC-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.00
Rot. Bonds2

About 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione

3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 796318) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID796318
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-9-3-1-2-4-10(9)18-13(19)11(16)12(14(18)20)17-5-7-21-8-6-17/h1-4H,5-8H2
InChIKeyIZBZZJWLLSFVOC-UHFFFAOYSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 796318) is 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione is O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is IZBZZJWLLSFVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-9-3-1-2-4-10(9)18-13(19)11(16)12(14(18)20)17-5-7-21-8-6-17/h1-4H,5-8H2.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 327.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 796318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).